Generalised Landau–Teller fitting of the vibrational relaxation rates in atom–diatom collisions: O2–Ar system as a case study.

Autor:	Dashevskaya, E., Litvin, I., Nikitin, E. E.
Předmět:	DIATOMIC molecules DEBYE temperatures MOLECULAR rotation COLLISION broadening
Zdroj:	Molecular Physics; Sep 2021, Vol. 119 Issue 17/18, p1-7, 7p
Abstrakt:	The common trajectory effective mass (CTEM) approach is applied to the calculation of the temperature dependence of the vibrational relaxation rate coefficient k10 in collisions of a diatomic molecule with chemically inert atom on an anisotropic PES. As a case study, we consider the O2–Ar system for which experimental data across the wide temperature range and ab initio results for the PES are available. It is shown that temperature dependence of the vibrational relaxation rate coefficient k10 is described by the CTEM approach with non-empirical value of the effective Landau–Teller characteristic temperature that indicates the contribution of O2 rotation in inducing vibrational transition. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
Externí odkaz:	Zobrazit plný text záznamu